ZINC 12

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  ZINC ID or SMILES

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Specs Natural Products

Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM

Binding 1μM Targets with Highest Number of Available Compounds (121 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
CAH7_HUMAN	P43166	CHEMBL2326	Carbonic anhydrase VII	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP19A_HUMAN	P11511	CHEMBL1978	Cytochrome P450 19A1	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SGMR1_HUMAN	Q99720	CHEMBL287	Sigma opioid receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_ELEEL	O42275	CHEMBL4078	Acetylcholinesterase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_HUMAN	P08913	CHEMBL1867	Alpha-2a adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_RAT	P22909	CHEMBL327	Alpha-2a adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_HUMAN	P18089	CHEMBL1942	Alpha-2b adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_RAT	P19328	CHEMBL266	Alpha-2b adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2C_HUMAN	P18825	CHEMBL1916	Alpha-2c adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2C_RAT	P22086	CHEMBL314	Alpha-2c adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_HUMAN	P10275	CHEMBL1871	Androgen Receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFA_BOVIN	P21398	CHEMBL3254	Monoamine oxidase A	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1C_RAT	P22002	CHEMBL3762	Voltage-gated L-type calcium channel alpha-1C subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD4_HUMAN	P21917	CHEMBL219	Dopamine D4 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EGFR_HUMAN	P00533	CHEMBL203	Epidermal growth factor receptor erbB1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ERR1_HUMAN	P11474	CHEMBL3429	Estrogen-related receptor alpha	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ERR2_HUMAN	O95718	CHEMBL3751	Estrogen-related receptor beta	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_HUMAN	P03372	CHEMBL206	Estrogen receptor alpha	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_HUMAN	Q92731	CHEMBL242	Estrogen receptor beta	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX12_HUMAN	P18054	CHEMBL3687	Arachidonate 12-lipoxygenase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRD_RAT	P33533	CHEMBL269	Delta opioid receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRK_RAT	P34975	CHEMBL3614	Kappa opioid receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRM_RAT	P33535	CHEMBL270	Mu opioid receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SGMR1_RAT	Q9R0C9	CHEMBL3602	Sigma opioid receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SHBG_HUMAN	P04278	CHEMBL3305	Testis-specific androgen-binding protein	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_HUMAN	P08908	CHEMBL214	Serotonin 1a (5-HT1a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_RAT	P19327	CHEMBL273	Serotonin 1a (5-HT1a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3A_HUMAN	P46098	CHEMBL1899	Serotonin 3a (5-HT3a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3B_HUMAN	O95264	CHEMBL3895	Serotonin 3b (5-HT3b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3C_HUMAN	Q8WXA8	CHEMBL4795	Serotonin 3c (5-HT3c) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3D_HUMAN	Q70Z44	CHEMBL4673	Serotonin 3d (5-HT3d) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT7R_RAT	P32305	CHEMBL3223	Serotonin 7 (5-HT7) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5NTD_RAT	P21588	CHEMBL1075214	5'-nucleotidase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA3R_HUMAN	P33765	CHEMBL256	Adenosine A3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_HUMAN	P22303	CHEMBL220	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_RAT	P37136	CHEMBL3199	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_TORCA	P04058	CHEMBL4780	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA_MOUSE	P04756	CHEMBL2449	Acetylcholine receptor protein alpha chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB_MOUSE	P09690	CHEMBL2690	Acetylcholine receptor protein beta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_BOVIN	P18130	CHEMBL4892	Alpha-1a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1B_HUMAN	P35368	CHEMBL232	Alpha-1b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1D_HUMAN	P25100	CHEMBL223	Alpha-1d adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1D_RAT	P23944	CHEMBL326	Alpha-1d adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_BOVIN	Q28838	CHEMBL4744	Alpha-2a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_MOUSE	Q01338	CHEMBL4075	Alpha-2a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_BOVIN	O77700	CHEMBL3523	Alpha-2b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_MOUSE	P30545	CHEMBL2405	Alpha-2b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2C_MOUSE	Q01337	CHEMBL4826	Alpha-2c adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY1_BOVIN	P19754	CHEMBL3549	Adenylate cyclase type I	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY1_HUMAN	Q08828	CHEMBL2899	Brain adenylate cyclase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALDR_HUMAN	P15121	CHEMBL1900	Aldose reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALDR_RAT	P07943	CHEMBL2622	Aldose reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_RAT	P15207	CHEMBL3072	Androgen Receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFA_HUMAN	P21397	CHEMBL1951	Monoamine oxidase A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFB_BOVIN	P56560	CHEMBL2756	Monoamine oxidase B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFB_HUMAN	P27338	CHEMBL2039	Monoamine oxidase B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH14_HUMAN	Q9ULX7	CHEMBL3510	Carbonic anhydrase XIV	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH9_HUMAN	Q16790	CHEMBL3594	Carbonic anhydrase IX	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CCR5_MOUSE	P51682	CHEMBL3676	C-C chemokine receptor type 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CDK1_HUMAN	P06493	CHEMBL308	Cyclin-dependent kinase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1B1_HUMAN	Q16678	CHEMBL4878	Cytochrome P450 1B1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CSK21_HUMAN	P68400	CHEMBL3629	Casein kinase II alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CSK2B_HUMAN	P67870	CHEMBL2358	Casein kinase II beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DHB3_HUMAN	P37058	CHEMBL4234	Estradiol 17-beta-dehydrogenase 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_BOVIN	Q95136	CHEMBL2967	Dopamine D1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_HUMAN	P21728	CHEMBL2056	Dopamine D1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_MOUSE	Q61616	CHEMBL3071	Dopamine D1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_RAT	P18901	CHEMBL265	Dopamine D1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_BOVIN	P20288	CHEMBL3998	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_HUMAN	P14416	CHEMBL217	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_RAT	P61169	CHEMBL339	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD3_HUMAN	P35462	CHEMBL234	Dopamine D3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD3_RAT	P19020	CHEMBL3138	Dopamine D3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD4_RAT	P30729	CHEMBL3361	Dopamine D4 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD5_HUMAN	P21918	CHEMBL1850	Dopamine D5 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD5_RAT	P25115	CHEMBL2281	Dopamine D5 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_BOVIN	P49884	CHEMBL2930	Estrogen receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_MOUSE	P19785	CHEMBL3065	Estrogen receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_RAT	P06211	CHEMBL2724	Estrogen receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_MOUSE	O08537	CHEMBL2995	Estrogen receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_RAT	Q62986	CHEMBL3021	Estrogen receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GCR_HUMAN	P04150	CHEMBL2034	Glucocorticoid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GPER_HUMAN	Q99527	CHEMBL5872	G-protein coupled estrogen receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
I23O1_HUMAN	P14902	CHEMBL4685	Indoleamine 2,3-dioxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNH2_HUMAN	Q12809	CHEMBL240	HERG	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX15_RABIT	P12530	CHEMBL4358	Arachidonate 15-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX5_HUMAN	P09917	CHEMBL215	Arachidonate 5-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX5_RAT	P12527	CHEMBL312	Arachidonate 5-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOX4_HUMAN	Q9NPH5	CHEMBL1250375	NADPH oxidase 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRD_HUMAN	P41143	CHEMBL236	Delta opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRK_CAVPO	P41144	CHEMBL3952	Kappa opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRK_HUMAN	P41145	CHEMBL237	Kappa opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRM_BOVIN	P79350	CHEMBL3041	Mu opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRM_CAVPO	P97266	CHEMBL4354	Mu opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRM_HUMAN	P35372	CHEMBL233	Mu opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE10_HUMAN	Q9Y233	CHEMBL4409	Phosphodiesterase 10A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE10_RAT	Q9QYJ6	CHEMBL6140	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE3A_HUMAN	Q14432	CHEMBL241	Phosphodiesterase 3A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE3B_HUMAN	Q13370	CHEMBL290	Phosphodiesterase 3B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE4A_RAT	P54748	CHEMBL4964	Phosphodiesterase 4A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE4B_RAT	P14646	CHEMBL3382	Phosphodiesterase 4B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE4C_RAT	P14644	CHEMBL4562	Phosphodiesterase 4C	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE4D_RAT	P14270	CHEMBL2712	Phosphodiesterase 4D	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_MOUSE	Q05769	CHEMBL4321	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PIM1_HUMAN	P11309	CHEMBL2147	Serine/threonine-protein kinase PIM1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q43570_TOBAC	Q43570	CHEMBL1293200	Zn finger protein	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q965D5_PLAFA	Q965D5	CHEMBL4150	Enoyl-acyl-carrier protein reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9XSW7_PIG	Q9XSW7	CHEMBL3061	Phosphodiesterase 3A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC5A1_HUMAN	P13866	CHEMBL4979	Sodium/glucose cotransporter 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC5A2_HUMAN	P31639	CHEMBL3884	Sodium/glucose cotransporter 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC5A4_HUMAN	Q9NY91	CHEMBL1770047	Low affinity sodium-glucose cotransporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA1A_PIG	P02550	CHEMBL3658	Tubulin alpha chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA1A_RAT	P68370	CHEMBL4139	Tubulin alpha-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB1_HUMAN	Q9H4B7	CHEMBL1915	Tubulin beta-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB3_HUMAN	Q13509	CHEMBL2597	Tubulin beta-3 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB4A_HUMAN	P04350	CHEMBL3838	Tubulin beta-4 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB4B_HUMAN	P68371	CHEMBL1848	Tubulin beta-2 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB8_HUMAN	Q3ZCM7	CHEMBL4024	Tubulin beta-8 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
XIAP_HUMAN	P98170	CHEMBL4198	Inhibitor of apoptosis protein 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase